SCHEMBL21186211

SCHEMBL21186211

Nc1nc2ccc(Oc3ccc(Cl)nc3)cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
TP53 P04637 3/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 2/20 0.63
CYP3A4 P08684 6/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.53
GAA P10253 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20568080 0.85 RAB9A (0.84) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186288 0.84 RAB9A (0.57) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL31114535 0.83 RAB9A (0.63) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL14397008 0.83 RAB9A (0.63) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL7285119 0.82 RAB9A (0.75) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL14024721 0.82 RAB9A (0.58) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186245 0.81 RAB9A (0.68) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186207 0.80 RAB9A (0.70) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21186401 0.80 RAB9A (0.62) RAB9ATP53NPC1SMN1; SMN2MAPT
SCHEMBL21185997 0.79 RAB9A (0.74) RAB9ATP53NPC1SMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed